N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylcycloheptan-1-amine

C16H28N4 — CID 75431571

IUPACN-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(NCc2nncn2C2CC2)CC1
InChIInChI=1S/C16H28N4/c1-12(2)13-4-3-5-14(7-6-13)17-10-16-19-18-11-20(16)15-8-9-15/h11-15,17H,3-10H2,1-2H3
InChIKeyYPKFWYZOYDRZBI-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.31
Rot. Bonds5

About N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylcycloheptan-1-amine

N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylcycloheptan-1-amine (PubChem CID 75431571) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
PubChem CID75431571
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(NCc2nncn2C2CC2)CC1
InChIInChI=1S/C16H28N4/c1-12(2)13-4-3-5-14(7-6-13)17-10-16-19-18-11-20(16)15-8-9-15/h11-15,17H,3-10H2,1-2H3
InChIKeyYPKFWYZOYDRZBI-UHFFFAOYSA-N
XLogP3.31
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylcycloheptan-1-amine (CID 75431571) is N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylcycloheptan-1-amine is CC(C)C1CCCC(NCc2nncn2C2CC2)CC1.
What is the InChIKey of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is YPKFWYZOYDRZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-12(2)13-4-3-5-14(7-6-13)17-10-16-19-18-11-20(16)15-8-9-15/h11-15,17H,3-10H2,1-2H3.
What are the key properties of N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylcycloheptan-1-amine?
N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 276.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 75431571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).